4241-4948 Screening compound: 2-ethoxy-4-[(Z)-{[(methoxycarbonyl)amino]imino}methyl]phenyl furan-2-carboxylate

4241-4948 Screening compound: 2-ethoxy-4-[(Z)-{[(methoxycarbonyl)amino]imino}methyl]phenyl furan-2-carboxylate
4241-4948 Screening compound: 2-ethoxy-4-[(Z)-{[(methoxycarbonyl)amino]imino}methyl]phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4241-4948
2-ethoxy-4-[(Z)-{[(methoxycarbonyl)amino]imino}methyl]phenyl furan-2-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4241-4948

Molecular Formula

C16H16N2O6 (C16 H16 N2 O6)

Compound Name

2-ethoxy-4-[(Z)-{[(methoxycarbonyl)amino]imino}methyl]phenyl furan-2-carboxylate

IUPAC name

2-ethoxy-4-[(Z)-{[(methoxycarbonyl)amino]imino}methyl]phenyl furan-2-carboxylate

SMILES

CCOc(cc(/C=N\NC(OC)=O)cc1)c1OC(c1ccco1)=O

InChI

InChI=1S/C16H16N2O6/c1-3-22-14-9-11(10-17-18-16(20)21-2)6-7-12(14)24-15(19)13-5-4-8-23-13/h4-10H,3H2,1-2H3,(H,18,20)

InChI Key

BVLBWKIUVMIJRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.250

Distribution Coefficient, logD

2.248

Water Solubility, LogSw

-2.80

Polar Surface Area

80.580

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4241-4948 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4241-4948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4241-4948?
Check Price and Availability of 4241-4948, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4241-4948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4241-4948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4241-4948
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4241-4948 available by request